Knowledge Base Resources

A comprehensive list of training resources from the HPC University. HPCU is a virtual organization whose primary goal is to provide a cohesive, persistent, and sustainable on-line environment to share educational and training materials for a continuum of high performance computing environments that span desktop computing capabilities to the highest-end of computing facilities offered by HPC centers.

This comprehensive workshop is designed to guide participants through the world of cryptography, from foundational concepts to advanced implementations. Starting with the basics of encryption, decryption, and hashing, the workshop discusses real-world applications like SSL, blockchain, and digital signatures. Interactive Python-based coding examples, such as symmetric and asymmetric encryption, will provide hands-on experience. Participants will also learn to identify cryptographic vulnerabilities and perform attacks like length extension. Finally, the workshop also explores future trends such as quantum cryptography and zero-knowledge proofs, providing participants with the knowledge to apply cryptography in securing modern digital systems. Ideal for beginners and intermediate learners alike, this workshop is a step-by-step journey into mastering cryptographic principles and practices.

Matplotlib is a comprehensive library for creating static, animated, and interactive visualizations in Python. It makes analyzing and presenting your data extremely easy and works with Python which many people already know.

Self-paced tutorials on high-end computing topics such as parallel computing, multi-core performance, and performance tools. Other related topics include 'Cybersecurity for End Users' and 'Developing Webinar Training.' Some of the tutorials also offer digital badges. Many of these tutorials were previously offered on CI-Tutor. A list of open access training courses are provided below. Parallel Computing on High-Performance Systems Profiling Python Applications Using an HPC Cluster for Scientific Applications Debugging Serial and Parallel Codes Introduction to MPI Introduction to OpenMP Introduction to Visualization Introduction to Performance Tools Multilevel Parallel Programming Introduction to Multi-core Performance Using the Lustre File System

This documentation contains introductory material on Python Programming for Digital Humanities and Computational Research. This can be a go-to material for a beginner trying to learn Python programming and for anyone wanting a Python refresher.

This course from MIT OpenCourseWare (OCW) covers very basic information on how to get started with programming using Python. Lectures are available, along with practice assignments, to users at no cost. Python has many applications in tech today, from web frameworks to machine learning. This course will also instruct users on how to get set up with an IDE, which will allow for way more efficient debugging.

Learn how to use Linux commands in a python script. Specifically, learn how to use the subprocess and os modules in python to run shell commands (which run Linux commands) in a python script that is run on a cluster.

Cornell Virtual Workshop is a comprehensive training resource for high performance computing topics. The Cornell University Center for Advanced Computing (CAC) is a leader in the development and deployment of Web-based training programs. Our Cornell Virtual Workshop learning platform is designed to enhance the computational science skills of researchers, accelerate the adoption of new and emerging technologies, and broaden the participation of underrepresented groups in science and engineering. Over 350,000 unique visitors have accessed Cornell Virtual Workshop training on programming languages, parallel computing, code improvement, and data analysis. The platform supports learning communities around the world, with code examples from national systems such as Frontera, Stampede2, and Jetstream2.

HPCwire is a prominent news and information source for the HPC community. Their website offers articles, analysis, and reports on HPC technologies, applications, and industry trends.

Spatial Data Science is a growing field across a wide range of industries and disciplines. The open-source programming language Python has many libraries that support spatial analysis, but what do you do when your computer is unable to tackle the massive file sizes of high-resolution data and the computing power required in your analysis? There materials have been prepared to teach you spatial data science and how to execute your analysis using a high-performance computer (HPC).

The Biopython Tutorial and Cookbook website is a dedicated online resource for users in the field of computational biology and bioinformatics. It provides a collection of tutorials and practical examples focused on using the Biopython library. The website offers a series of tutorials that cover various aspects of Biopython, catering to users with different levels of expertise. It also includes code snippets and examples, and common solutions to common challenges in computational biology.

This tutorial introduces the use of Containers using the Charliecloud software suite. This tutorial will provide participants with background and hands-on experience to use basic Charliecloud containers for HPC applications. We discuss what containers are, why they matter for HPC, and how they work. We'll give an overview of Charliecloud, the unprivileged container solution from Los Alamos National Laboratory's HPC Division. Students will learn how to build toy containers and containerize real HPC applications, and then run them on a cluster. Exercises are demonstrated using the ACES cluster, a composable accelerator testbed at Texas A&M University. Students with an allocation on the ACES cluster can follow along with the ACES-specific exercises.

Introduction seminar for new reactive python notebook from marimo ambassador.

This link is a documentary website to use AHPCC.

The official documentation for PyTorch, a machine learning tensor-based framework, and NumPy, which allows for support for ndarrays which is useful to make tensors when implementing NNs. Both libraries can be installed with pip.

A lecture and notes with the goal of teaching introductory python. Starting by understanding how to download and start using python, then expanding to basic syntax for lists, arrays, loops, and methods.

Python course offered by Texas A&M HPRC

Slides for a tutorial on Machine Learning applications in Engineering and parameter tuning given at the RMACC conference 2019.

Comprehensive tutorials and lecture notes covering various aspects of scientific computing using Python and Scipy.

**Cursor: The AI-Powered Code Editor** Cursor is a cutting-edge, AI-first code editor designed to revolutionize the way developers write, debug, and understand code. Built upon the premise of pair-programming with artificial intelligence, Cursor harnesses the capabilities of advanced AI models to offer real-time coding assistance, bug detection, and code generation. **How Cursor Benefits High-Performance Computing (HPC) Work:** 1. **Efficient Code Development:** With AI-assisted code generation, researchers and developers in the HPC realm can quickly write optimized code for simulations, data processing, or modeling tasks, reducing the time to deployment. 2. **Debugging Assistance:** Handling complex datasets and simulations often lead to intricate bugs. Cursor's capability to automatically investigate errors and determine root causes can save crucial time in the HPC workflow. 3. **Tailored Code Suggestions:** Cursor's AI provides context-specific code suggestions by understanding the entire codebase. For HPC applications where performance is paramount, this means receiving recommendations that align with optimization goals. 4. **Improved Code Quality:** With AI-driven bug scanning and linter checks, Cursor ensures that HPC codes are not only fast but also robust and free of common errors. 5. **Easy Integration:** Being a fork of VSCode, Cursor allows seamless migration, ensuring that developers working in HPC can swiftly integrate their existing VSCode setups and extensions. In essence, for HPC tasks that demand speed, precision, and robustness, Cursor acts as an invaluable co-pilot, guiding developers towards efficient and optimized coding solutions. It is free if you provide your own OPEN AI API KEY.

Regular expressions (sometimes referred to as RegEx) is an incredibly powerful tool that is used to define string patterns for "find" or "find and replace" operations on strings, or for input validation. Regular Expressions are used in search engines, in search and replace dialogs of word processors and text editors, and text-processing Linux utilities such as sed and awk. They are supported in many programming languages, including Python, R, Perl, Java, and others.

Conda is a popular package management system. This tutorial introduces you to Conda and walks you through managing Python, your environment, and packages.

This tutorial series and documentation covers topics on using Python on HPC clusters. The specific steps are based on the HOPPER cluster at George Mason University in Fairfax, VA. They should be implementable on most HPC clusters that have the SLURM scheduler installed, the Environment Modules system for managing packages and Open onDemand for a web-based GUI to access the cluster resources.

MDAnalysis is a python based library of tools for the analysis of molecular dynamics simulations. It is able to read and write many popular simulation formats including CHARMM, LAMMPS, GROMACS, and AMBER and more. This link contains the documentation pages of all MDAnalysis functions and has links to tutorials using Jupyter Notebooks.